openbabel/openbabel — pull request #60 by patrickfuller (2014-01-09 23:42:21+00:00)
Title: Small EQeq fix

Fixes a bug that occurs when using crystals with small or nonuniform unit cell dimensions.

Previously: always created a 5x5x5 supercell before calculation
Now: Ensures that each cell dimension is >150 Angstroms